N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

C21H24N6O2 — CID 1136633

IUPACN-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C21H24N6O2/c1-15-3-4-16(2)19(13-15)22-20(28)14-27-24-21(23-25-27)17-5-7-18(8-6-17)26-9-11-29-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,22,28)
InChIKeyALFWSWFNOGURCO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.43
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide

N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (PubChem CID 1136633) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
PubChem CID1136633
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C21H24N6O2/c1-15-3-4-16(2)19(13-15)22-20(28)14-27-24-21(23-25-27)17-5-7-18(8-6-17)26-9-11-29-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,22,28)
InChIKeyALFWSWFNOGURCO-UHFFFAOYSA-N
XLogP2.43
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166107
N-(4-fluorophenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide
CID 1166105
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 84603667
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16517343
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 3153092
N-(4-chloro-2-fluorophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 9355146
N-(2-methoxy-5-methylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 846173
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
CID 1175345
N-(5-fluoro-2-methylphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 18171626

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide (CID 1136633) is N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is ALFWSWFNOGURCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15-3-4-16(2)19(13-15)22-20(28)14-27-24-21(23-25-27)17-5-7-18(8-6-17)26-9-11-29-12-10-26/h3-8,13H,9-12,14H2,1-2H3,(H,22,28).
What are the key properties of N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1136633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).